1-benzyl-2-(2-ethylanilino)-4H-imidazol-5-one

C18H19N3O — CID 655009

IUPAC1-benzyl-2-(2-ethylanilino)-4H-imidazol-5-one
SMILESCCc1ccccc1NC1=NCC(=O)N1Cc1ccccc1
InChIInChI=1S/C18H19N3O/c1-2-15-10-6-7-11-16(15)20-18-19-12-17(22)21(18)13-14-8-4-3-5-9-14/h3-11H,2,12-13H2,1H3,(H,19,20)
InChIKeySRNIBOREMJJMTQ-UHFFFAOYSA-N
MW293.37 g/mol
LogP3.06
Rot. Bonds4

About 1-benzyl-2-(2-ethylanilino)-4H-imidazol-5-one

1-benzyl-2-(2-ethylanilino)-4H-imidazol-5-one (PubChem CID 655009) has the molecular formula C18H19N3O and a molecular weight of 293.37 g/mol. Its IUPAC name is 1-benzyl-2-(2-ethylanilino)-4H-imidazol-5-one.

Molecular Properties

Compound Name1-benzyl-2-(2-ethylanilino)-4H-imidazol-5-one
PubChem CID655009
Molecular FormulaC18H19N3O
Molecular Weight293.37 g/mol
Exact Mass293.15
IUPAC Name1-benzyl-2-(2-ethylanilino)-4H-imidazol-5-one
SMILESCCc1ccccc1NC1=NCC(=O)N1Cc1ccccc1
InChIInChI=1S/C18H19N3O/c1-2-15-10-6-7-11-16(15)20-18-19-12-17(22)21(18)13-14-8-4-3-5-9-14/h3-11H,2,12-13H2,1H3,(H,19,20)
InChIKeySRNIBOREMJJMTQ-UHFFFAOYSA-N
XLogP3.06
TPSA44.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-2-(2-ethylanilino)-4H-imidazol-5-one?
The IUPAC name of 1-benzyl-2-(2-ethylanilino)-4H-imidazol-5-one (CID 655009) is 1-benzyl-2-(2-ethylanilino)-4H-imidazol-5-one.
What is the SMILES notation for 1-benzyl-2-(2-ethylanilino)-4H-imidazol-5-one?
The canonical SMILES for 1-benzyl-2-(2-ethylanilino)-4H-imidazol-5-one is CCc1ccccc1NC1=NCC(=O)N1Cc1ccccc1.
What is the InChIKey of 1-benzyl-2-(2-ethylanilino)-4H-imidazol-5-one?
The InChIKey is SRNIBOREMJJMTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O/c1-2-15-10-6-7-11-16(15)20-18-19-12-17(22)21(18)13-14-8-4-3-5-9-14/h3-11H,2,12-13H2,1H3,(H,19,20).
What are the key properties of 1-benzyl-2-(2-ethylanilino)-4H-imidazol-5-one?
1-benzyl-2-(2-ethylanilino)-4H-imidazol-5-one has a molecular weight of 293.37 g/mol, XLogP of 3.06, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-2-(2-ethylanilino)-4H-imidazol-5-one is sourced from PubChem (CID 655009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).